CID 16226760

870692-98-1

Structural Information

Molecular Formula
C17H16N2O2
SMILES
CC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C17H16N2O2/c1-11(2)12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)18-17(19)21/h3-11H,1-2H3,(H,18,21)
InChIKey
ZUAKYEINYRAVOG-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylphenyl)-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 164.2
[M+Na]+ 303.110418 174.2
[M-H]- 279.113924 168.5
[M+NH4]+ 298.155023 177.9
[M+K]+ 319.084358 168.1
[M+H-H2O]+ 263.118460 155.1
[M+HCOO]- 325.119401 182.7
[M+CH3COO]- 339.135051 175.6
[M+Na-2H]- 301.095866 169.3
[M]+ 280.12065142 164.5
[M]- 280.12174858 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.